CID 3023877

94159-92-9

Structural Information

Molecular Formula
C18H11F19O2
SMILES
C1=CC=C(C=C1)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C18H11F19O2/c19-10(20,6-8(38)7-39-9-4-2-1-3-5-9)12(22,23)14(26,27)16(30,31)15(28,29)13(24,25)11(21,17(32,33)34)18(35,36)37/h1-5,8,38H,6-7H2
InChIKey
BVQDBQFRYDVCDL-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.0456 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.05288 179.1
[M+Na]+ 643.03482 184.8
[M-H]- 619.03832 186.5
[M+NH4]+ 638.07942 188.9
[M+K]+ 659.00876 193.5
[M+H-H2O]+ 603.04286 168.4
[M+HCOO]- 665.04380 198.8
[M+CH3COO]- 679.05945 252.8
[M+Na-2H]- 641.02027 177.9
[M]+ 620.04505 177.2
[M]- 620.04615 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.